5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C20H21N5O — CID 100727217

IUPAC5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2[C@@H]3CC[C@@H]2C=C(c2ccccc2)C3)n2ncnc2n1
InChIInChI=1S/C20H21N5O/c1-26-12-16-11-19(25-20(23-16)21-13-22-25)24-17-7-8-18(24)10-15(9-17)14-5-3-2-4-6-14/h2-6,9,11,13,17-18H,7-8,10,12H2,1H3/t17-,18-/m1/s1
InChIKeyZCSOCXAPGHMVCJ-QZTJIDSGSA-N
MW347.42 g/mol
LogP3.10
Rot. Bonds4

About 5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 100727217) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID100727217
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2[C@@H]3CC[C@@H]2C=C(c2ccccc2)C3)n2ncnc2n1
InChIInChI=1S/C20H21N5O/c1-26-12-16-11-19(25-20(23-16)21-13-22-25)24-17-7-8-18(24)10-15(9-17)14-5-3-2-4-6-14/h2-6,9,11,13,17-18H,7-8,10,12H2,1H3/t17-,18-/m1/s1
InChIKeyZCSOCXAPGHMVCJ-QZTJIDSGSA-N
XLogP3.10
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
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CID 126874378
7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
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3-(2,2-difluoroethyl)-2-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950371
7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 133273595
5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
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5-(methoxymethyl)-7-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126911773
7-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126947093
5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133307441
2-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
CID 78845347
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CID 133289444

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 100727217) is 5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is COCc1cc(N2[C@@H]3CC[C@@H]2C=C(c2ccccc2)C3)n2ncnc2n1.
What is the InChIKey of 5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZCSOCXAPGHMVCJ-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H21N5O/c1-26-12-16-11-19(25-20(23-16)21-13-22-25)24-17-7-8-18(24)10-15(9-17)14-5-3-2-4-6-14/h2-6,9,11,13,17-18H,7-8,10,12H2,1H3/t17-,18-/m1/s1.
What are the key properties of 5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 347.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 100727217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).